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Safety Information

D77001

Sigma-Aldrich

Adiponitrile

99%

Synonym(s):

1,6-hexanedinitrile, ADN, 1,4-Dicyanobutane

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About This Item

Linear Formula:
NC(CH2)4CN
CAS Number:
111-69-3
Molecular Weight:
108.14
Beilstein:
1740005
EC Number:
203-896-3
MDL number:
MFCD00001975
UNSPSC Code:
12352100
PubChem Substance ID:
24894156
NACRES:
NA.22

vapor density

3.7 (vs air)

Quality Level

100

vapor pressure

0.01 mmHg ( 40 °C)

Assay

99%

form

liquid

autoignition temp.

1022 °F

expl. lim.

4.99 %

refractive index

n20/D 1.438 (lit.)

bp

295 °C (lit.)

mp

1-3 °C (lit.)

density

0.951 g/mL at 25 °C (lit.)

SMILES string

N#CCCCCC#N

InChI

1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2

InChI key

BTGRAWJCKBQKAO-UHFFFAOYSA-N

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Application

Adiponitrile is a key precursor for manufacturing nylon-6,6. It can undergo catalytic hydrogenation to form hexamethylenediamine (HMD). ADN shows promising potential as a solvent for electrolyte solutions used in high-voltage lithium batteries due to its high anodic and thermal stability.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301,H332

Hazard Classifications

Acute Tox. 3 Oral - Acute Tox. 4 Inhalation

WGK

WGK 1

Flash Point(F)

325.4 °F

Flash Point(C)

163 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Gerald L Kennedy
Drug and chemical toxicology, 27(2), 123-131 (2004-06-17)
Adiponitrile (ADN) has moderate acute toxicity with an oral LD50 in rats of 100 to 500 mg/kg and a 4-hr LC50 in rats of 1.71 mg/L (vapor plus aerosol). ADN produced slight eye but no skin irritation in rabbits. Repeated
J L Moreau et al.
Journal of chromatography. B, Biomedical applications, 656(1), 197-202 (1994-06-03)
A procedure for the assay of nitrile hydratase and amidase activity by high-performance liquid chromatography is described. The method can be used to assay the intermediate compounds resulting from the hydrolysis of adiponitrile into adipic acid, and to determine the
J L Moreau et al.
The Analyst, 116(12), 1381-1383 (1991-12-01)
A procedure for the assay of nitrile hydratase and amidase activities by high-performance liquid chromatography is described. The method can be used to assay the intermediate compounds resulting from the hydrolysis of adiponitrile to adipic acid, and to determine the
The catalytic hydrogenation of adiponitrile to hexamethylenediamine over a rhodium/alumina catalyst in a three phase slurry reactor.
Alini S, et al.
J. Mol. Catal. A: Chem., 206(1-2), 363-370 (2003)
O L Dashiell et al.
Journal of applied toxicology : JAT, 4(6), 320-325 (1984-12-01)
Nine chemicals, with a range from extremely to slightly toxic, were used to measure the oral LD50 in both fasted (24-h) and non-fasted rats. Each chemical was tested as a solution or suspension in corn oil, responses within 14 days
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